Basic information
- Standard SMILES
C#CC#N- InChIKey
LNDJVIYUJOJFSO-UHFFFAOYSA-N- Molecular formula
- C3HN
- Average molar mass
- 51.05 g/mol
- Monoisotopic mass
- 51.01089903
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Propynenitrile
- IUPAC
- prop-2-ynenitrile
- English name
- Cyanoacetylene
- Molecular formula
- C3HN
- Molecular weight
- 51.05
Names & synonyms
Show more names
Database identifiers
- CAS
1070-71-9- PubChem CID
- 14055
- DTXSID
DTXSID40147867- UNII
- 0TF7QM91EF
- EC Number
- 861-640-1
- Nikkaji
- J71.039C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 84.3
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 5 ℃ · 5℃
- Boiling point
- 42.5 ℃ · 42.5℃
- Density
- 0.8159 g/cm3 · 0.8159 g/cm3 (17 ºC)
- refractive index
- 1.40072 · 1.40072 (17℃)
- Flash point
- -30.5 · -30.5±12.6℃
- solubility
- sol benzene, EtOH, acetonitrile, cyclohexane, toluene, ether.
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 TF7QM91EF · 0TF7QM91EF
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H300-H310-H225
- Precautionary statements
- 262 · P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- Hazard statements
- H330-H300-H310-H225
- Precautionary statements
- P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
Uses2-Propynenitrile, is the simplest cyanopolyyne. It has been detected by spectroscopic methods in interstellar clouds, in the coma of comet Hale–Bopp and in the atmosphere of Saturn''s moon Titan, where it sometimes forms expansive fog-like clouds.
Preparation methods
PreparationCyanoacetylene is not commercially available, but can be prepared on a several gram scale by the dehydration of propynamide (propiolamide) with Phosphorus(V) Oxide (eq 1). The reactants are well ground together under nitrogen, and upon subjection of the resulting solid mixture to high temperature treatment, propynenitrile is collected as a distillate in a receiver held at 5 °C.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers23 total
Related reactions
Linked notes
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